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1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
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ChemBase ID:
340156
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Molecular Formular:
C21H30N4O
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Molecular Mass:
354.4891
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Monoisotopic Mass:
354.2419616
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SMILES and InChIs
SMILES:
n1c(noc1CNC1CN(CC2CCCCC2)CCC1)c1ccccc1
Canonical SMILES:
C1CCC(CC1)CN1CCCC(C1)NCc1onc(n1)c1ccccc1
InChI:
InChI=1S/C21H30N4O/c1-3-8-17(9-4-1)15-25-13-7-12-19(16-25)22-14-20-23-21(24-26-20)18-10-5-2-6-11-18/h2,5-6,10-11,17,19,22H,1,3-4,7-9,12-16H2
InChIKey:
LOUPIGUGVHYMBO-UHFFFAOYSA-N
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Cite this record
CBID:340156 http://www.chembase.cn/molecule-340156.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
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IUPAC Traditional name
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1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
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Synonyms
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1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinamine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.95773
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LogD (pH = 7.4)
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2.5839922
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Log P
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4.2902155
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Molar Refractivity
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115.6355 cm3
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Polarizability
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41.26335 Å3
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Polar Surface Area
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54.19 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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4.56
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LOG S
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-3.46
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Polar Surface Area
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54.19 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent